(4-Pyridylthio)acetic acid

Base Information

• Chemical Name: (4-Pyridylthio)acetic acid
• CAS No.: 10351-19-6
• Deprecated CAS: 933757-14-3
• Molecular Formula: C7H7NO2S
• Molecular Weight: 169.204
• Hs Code.: 29333999
• European Community (EC) Number: 233-765-6
• UNII: RJM84D83B7
• DSSTox Substance ID: DTXSID2065048
• Nikkaji Number: J257G
• Wikidata: Q72504770
• Mol file: 10351-19-6.mol

Synonyms:(4-Pyridylthio)acetic acid;10351-19-6;2-(Pyridin-4-ylthio)acetic acid;4-Pyridylthioacetic acid;Acetic acid, (4-pyridinylthio)-;2-pyridin-4-ylsulfanylacetic acid;4-Pyridylmercaptoacetic acid;(4-Pyridinylthio)acetic acid;(pyridin-4-ylsulfanyl)acetic acid;Acetic acid, 2-(4-pyridinylthio)-;2-(Pyridin-4-ylsulfanyl)acetic acid;RJM84D83B7;EINECS 233-765-6;S-(4-Pyridyl)thioglycolic Acid;MFCD00006424;UNII-RJM84D83B7;SCHEMBL147071;2-(Pyridin-4-ylthio)aceticacid;Acetic acid, (4-pyridylthio)-;DTXSID2065048;(4-Pyridinylsulfanyl)acetic acid;pyridin-4-ylsulfanyl-acetic acid;(4-Pyridinylsulfanyl)acetic acid #;(pyridin-4-ylsulfanyl)-acetic acid;.alpha.-(4-Pyridylthio)acetic acid;BBL001462;STL102640;AKOS000120110;CS-W016033;PS-4023;2-(4-PYRIDINYLTHIO)ACETIC ACID;BP-12537;FT-0619457;EN300-20635;F15983;AB00989867-01;A896441;W-108846;F2191-0045;Z104479390;4-BROMO-BENZO[B]THIOPHENE-2-CARBOXYLICACIDMETHYLESTER

Chemical Property of (4-Pyridylthio)acetic acid

Chemical Property:

• Appearance/Colour: Off-white crystalline solid
• Vapor Pressure: 1.76E-05mmHg at 25°C
• Melting Point: 251-255 °C (dec.)(lit.)
• Refractive Index: 1.6100 (estimate)
• Boiling Point: 349.5 °C at 760 mmHg
• PKA: 3.04±0.10(Predicted)
• Flash Point: 165.2 °C
• PSA: 75.49000
• Density: 1.35 g/cm³
• LogP: 1.25830
• Storage Temp.: Refrigerator
• Solubility.: DMSO
• Water Solubility.: insoluble
• XLogP3: 1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 169.01974964
• Heavy Atom Count: 11
• Complexity: 134

Purity/Quality:

99.5% ^*data from raw suppliers

(4-Pyridylthio)acetic Acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39-24/25-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN=CC=C1SCC(=O)O
• Uses: 4-Pyridylthioacetic Acid (cas# 10351-19-6) is a compound useful in organic synthesis.

Technology Process of (4-Pyridylthio)acetic acid

There total 3 articles about (4-Pyridylthio)acetic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

4-pyridinethione (19829-29-9) + chloroacetic acid (79-11-8) → (4-pyridylthio)acetic acid (10351-19-6)

Guidance literature:

With water;

DOI:10.1039/jr9390000873

Reference yield:

4-Chloropyridine (626-61-9) + mercaptoacetic acid (68-11-1) → (4-pyridylthio)acetic acid (10351-19-6)

Guidance literature:

at 120 - 140 ℃;

Reference yield:

→ (4-pyridylthio)acetic acid (10351-19-6)

Guidance literature:

upstream raw materials:

4-pyridinethione

chloroacetic acid

4-Chloropyridine

mercaptoacetic acid

Downstream raw materials:

1-hydroxy-2-(4-pyridylmercapto)ethylidenebisphosphonic acid monosodium

C₂₅H₂₂N₄OS

[Hg(4-pyridylthioacetate)Cl]n

{N,N'-ethylenebis(salicylaldiminato)manganese(III)((4-pyridylthio)acetate)}n*H₂O